Deep learning has disrupted nearly every field of research, including those of direct
importance to drug discovery, such as medicinal chemistry and pharmacology. This …

Molecular docking is a Bioinformatics method based on predicting the position and
orientation of a small molecule or ligand when it is bound to a target macromolecule. This …

Metaheuristic algorithms are employed to solve complex and large‐scale optimization
problems in many different fields, from transportation and smart cities to finance. This paper …

Virtual screening is a key enabler of computational drug discovery and requires accurate
and efficient structure-based molecular docking. In this work, we develop algorithms and …

In the last years, the huge amount of data available in many disciplines makes the
mathematical modeling, and, more concretely, econometric models, a very important …

Recent trends in cluster computing and related topics, including processor and memory
design, demonstrate a continuous growing need for more processing and memory, both in …